UCSF

ZINC36154240

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Substance Information

In ZINC since Heavy atoms Benign functionality
October 24th, 2009 22 Yes

Popular Name: 5-(2-chlorophenyl)-2-[(isopropylamino)methyl]-3H-thieno[2,3-d]pyrimidin-4-one 5-(2-chlorophenyl)-2-[(isopropyl…

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Download: MOL2 SDF SMILES Flexibase

Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 3.43 7.51 -50.59 3 4 1 62 334.852 4 ↓
Mid Mid (pH 6-8) 3.89 5.14 -41.78 2 4 0 65 333.844 4 ↓

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Analogs ( Draw Identity 99% 90% 80% 70% )

No pre-computed analogs available. Try a structural similarity search.